| 1 | M | 79.4 | Confident | 81.7 | Confident | 239 Ų | 239 | 100.7 Ų | 100.7 | 100% | 1.177 | 55% | 0.545 | S | S | * | . | | | | 0 | 118.2 | 0 | -70.1 | -104.9 | 101.9 | 0 | 0 | 106.2 | | |
| 2 | D | 77.3 | Confident | 80.9 | Confident | 148 Ų | 148 | 101 Ų | 101 | 79% | 0.791 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 127.7 | 178 | -170.7 | -108.6 | 0 | 0 | 0 | 109.2 | | |
| 3 | P | 80.3 | Confident | 80.5 | Confident | 101 Ų | 101 | 100.2 Ų | 100.2 | 66% | 0.656 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 137.6 | 178.9 | 29.1 | -32 | 0 | 0 | 0 | 110.4 | | |
| 4 | N | 81.3 | Confident | 79.6 | Confident | 94 Ų | 94 | 101.4 Ų | 101.4 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 125.7 | 177.8 | 177.4 | 58.5 | 0 | 0 | 0 | 111 | F6 | N4-F6 PolarHBondContact ND2-O 2.85Å; N4-F6 PolarHBondContact ND2-N 3.32Å; N4-F6 PolarHBondContact O-N 3.04Å |
| 5 | P | 84.1 | Confident | 78.9 | Confident | 70 Ų | 70 | 101.1 Ų | 101.1 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -77.1 | 9.1 | -174.7 | 31.3 | -36.8 | 0 | 0 | 0 | 113.7 | Y27 | P5-Y27 WeakPolarHBondContact O-CB 3.43Å; P5-Y27 PolarHBondContact O-N 3.4Å |
| 6 | F | 84.1 | Confident | 77.9 | Confident | 78 Ų | 78 | 104.1 Ų | 104.1 | 34% | 0.342 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.6 | -178.8 | -59.4 | -80.2 | 0 | 0 | 0 | 111.7 | N4 Y8 K24 T25 P26 | N4-F6 PolarHBondContact ND2-O 2.85Å; N4-F6 PolarHBondContact ND2-N 3.32Å; N4-F6 PolarHBondContact O-N 3.04Å; F6-Y8 HydrophobicContact CB-CE2 4.22Å; F6-K24 HydrophobicContact CB-CG 4.12Å; F6-K24 HydrophobicContact CD1-CD 4.37Å; F6-K24 VanDerWaalsContact CD1-CE 3.43Å; F6-K24 HydrophobicContact CD1-CG 4.08Å; F6-K24 VanDerWaalsContact CD2-CE 3.4Å; F6-K24 HydrophobicContact CG-CD 4.37Å; F6-K24 HydrophobicContact CG-CG 4.21Å; F6-T25 WeakPolarHBondContact CA-O 3.2Å; F6-P26 HydrophobicContact CE1-CB 4.32Å; F6-P26 HydrophobicContact CD1-CB 4.34Å |
| 7 | I | 84.5 | Confident | 77.1 | Confident | 60 Ų | 60 | 109.4 Ų | 109.4 | 31% | 0.308 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.3 | 169.1 | -67.2 | 169 | 0 | 0 | 0 | 108.2 | T25 Y27 L29 | I7-T25 PolarHBondContact N-O 2.86Å; I7-T25 PolarHBondContact O-N 2.8Å; I7-Y27 HydrophobicContact CD1-CD2 3.67Å; I7-Y27 HydrophobicContact CD1-CE2 4.39Å; I7-Y27 HydrophobicContact CG1-CD2 4.39Å; I7-L29 HydrophobicContact CB-CD1 4.23Å; I7-L29 HydrophobicContact CD1-CD1 3.27Å; I7-L29 HydrophobicContact CG1-CD1 4.27Å |
| 8 | Y | 85.4 | Confident | 76.8 | Confident | 117 Ų | 117 | 106.2 Ų | 106.2 | 46% | 0.459 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.1 | 176.3 | -66.4 | -88.3 | 0 | 0 | 0 | 109 | F6 L22 I23 K24 | F6-Y8 HydrophobicContact CB-CE2 4.22Å; Y8-L22 HydrophobicContact CD1-CD2 4.03Å; Y8-L22 HydrophobicContact CD1-CG 4.23Å; Y8-I23 CarbonylContact C-O 3.58Å; Y8-I23 WeakPolarHBondContact CA-O 3.42Å; Y8-K24 HydrophobicContact CD1-CB 4.09Å; Y8-K24 HydrophobicContact CD1-CG 4.19Å; Y8-K24 HydrophobicContact CE1-CB 3.9Å; Y8-K24 HydrophobicContact CE1-CD 3.81Å; Y8-K24 HydrophobicContact CE1-CG 3.67Å |
| 9 | C | 80.4 | Confident | 76.7 | Confident | 50 Ų | 50 | 110.3 Ų | 110.3 | 34% | 0.338 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 135 | 177.8 | -66.8 | 0 | 0 | 0 | 0 | 109.5 | I23 | C9-I23 HydrophobicContact CB-CB 4.5Å; C9-I23 PolarHBondContact N-O 3.2Å; C9-I23 PolarHBondContact O-N 2.77Å |
| 10 | T | 84.3 | Confident | 76.8 | Confident | 86 Ų | 86 | 109.1 Ų | 109.1 | 53% | 0.528 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 118.7 | 170.3 | -57 | 0 | 0 | 0 | 0 | 108.3 | P20 | T10-P20 HydrophobicContact CG2-CB 3.48Å; T10-P20 VanDerWaalsContact CG2-CB 3.48Å |
| 11 | C | 77.8 | Confident | 76.9 | Confident | 65 Ų | 65 | 111.7 Ų | 111.7 | 44% | 0.439 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 118.6 | 176.1 | -73.4 | 0 | 0 | 0 | 0 | 110.2 | K21 I23 | C11-K21 PolarHBondContact N-O 2.77Å; C11-I23 HydrophobicContact CB-CD1 4.17Å; C11-I23 WeakPolarHBondContact SG-CD1 3.3Å |
| 12 | C | 72.4 | Confident | 77.1 | Confident | 104 Ų | 104 | 105.7 Ų | 105.7 | 70% | 0.703 | 59% | 0.589 | S | S | * | * | | | trans | -86.4 | 109.2 | 164.6 | -62.1 | 0 | 0 | 0 | 0 | 107.7 | C14 | C12-C14 PolarHBondContact O-N 3Š|
| 13 | D | 74.8 | Confident | 77.4 | Confident | 91 Ų | 91 | 102.1 Ų | 102.1 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | | | trans | -85.8 | 106.9 | 171.3 | -173.5 | -40.7 | 0 | 0 | 0 | 107.8 | C15 K16 | D13-C15 PolarHBondContact O-N 3.11Å; D13-C15 WeakPolarHBondContact OD1-CA 2.98Å; D13-C15 WeakPolarHBondContact OD1-CB 3.48Å; D13-C15 PolarHBondContact OD1-N 3.4Å; D13-K16 WeakPolarHBondContact OD2-CG 3.37Å; D13-K16 VanDerWaalsContact OD1-N 3.11Å; D13-K16 PolarHBondContact OD1-N 2.87Å; D13-K16 VanDerWaalsContact O-O 3.06Å; D13-K16 VanDerWaalsContact O-N 3.15Å; D13-K16 VanDerWaalsContact CG-CG 3.47Å; D13-K16 HydrophobicContact CB-CG 4.14Å; D13-K16 HydrophobicContact CB-CB 3.97Å; D13-K16 PolarHBondContact O-N 2.89Å |
| 14 | C | 68.8 | Low | 77.8 | Confident | 116 Ų | 116 | 102.8 Ų | 102.8 | 78% | 0.784 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -17.2 | -177 | -58.4 | 0 | 0 | 0 | 0 | 113.5 | C12 | C12-C14 PolarHBondContact O-N 3Š|
| 15 | C | 68.1 | Low | 77.8 | Confident | 97 Ų | 97 | 100 Ų | 100 | 66% | 0.655 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -13.3 | -177.7 | -63 | 0 | 0 | 0 | 0 | 112.7 | D13 | D13-C15 PolarHBondContact O-N 3.11Å; D13-C15 WeakPolarHBondContact OD1-CA 2.98Å; D13-C15 WeakPolarHBondContact OD1-CB 3.48Å; D13-C15 PolarHBondContact OD1-N 3.4Å |
| 16 | K | 64.4 | Low | 77.7 | Confident | 149 Ų | 149 | 100.6 Ų | 100.6 | 65% | 0.648 | 55% | 0.552 | S | S | * | * | | | trans | -107.3 | 110.1 | 174.7 | -60 | -76.8 | -177.7 | -175 | 0 | 108 | D13 G18 | D13-K16 WeakPolarHBondContact OD2-CG 3.37Å; D13-K16 VanDerWaalsContact OD1-N 3.11Å; D13-K16 PolarHBondContact OD1-N 2.87Å; D13-K16 VanDerWaalsContact O-O 3.06Å; D13-K16 VanDerWaalsContact O-N 3.15Å; D13-K16 VanDerWaalsContact CG-CG 3.47Å; D13-K16 HydrophobicContact CB-CG 4.14Å; D13-K16 HydrophobicContact CB-CB 3.97Å; D13-K16 PolarHBondContact O-N 2.89Å; K16-G18 PolarHBondContact O-N 2.83Å |
| 17 | L | 64.3 | Low | 77.6 | Confident | 194 Ų | 194 | 104.8 Ų | 104.8 | 100% | 1.016 | 57% | 0.567 | S | S | * | * | | | trans | -67.3 | 30.7 | 166.1 | -63.8 | 169.2 | 0 | 0 | 0 | 112.2 | | |
| 18 | G | 70.6 | Confident | 77.3 | Confident | 53 Ų | 53 | 106.5 Ų | 106.5 | 55% | 0.546 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -99.9 | 169.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K16 | K16-G18 PolarHBondContact O-N 2.83Š|
| 19 | Q | 75.9 | Confident | 76.8 | Confident | 183 Ų | 183 | 105.3 Ų | 105.3 | 86% | 0.855 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 135.8 | 177.6 | -69.8 | 177.4 | -31.5 | 0 | 0 | 111 | K21 | Q19-K21 PolarHBondContact O-N 3.01Š|
| 20 | P | 77.2 | Confident | 76.4 | Confident | 86 Ų | 86 | 108.2 Ų | 108.2 | 56% | 0.558 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.9 | 175.4 | -22.7 | 32 | 0 | 0 | 0 | 110.8 | T10 | T10-P20 HydrophobicContact CG2-CB 3.48Å; T10-P20 VanDerWaalsContact CG2-CB 3.48Å |
| 21 | K | 79.6 | Confident | 75.7 | Confident | 164 Ų | 164 | 114.2 Ų | 114.2 | 71% | 0.713 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.2 | 126 | 175.8 | -70.8 | 179.6 | -179.5 | 172.6 | 0 | 109.3 | C11 Q19 | C11-K21 PolarHBondContact N-O 2.77Å; Q19-K21 PolarHBondContact O-N 3.01Å |
| 22 | L | 83.3 | Confident | 75.2 | Confident | 113 Ų | 113 | 116.9 Ų | 116.9 | 59% | 0.592 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.9 | 122.5 | 169.1 | -170.2 | 65.9 | 0 | 0 | 0 | 109 | Y8 | Y8-L22 HydrophobicContact CD1-CD2 4.03Å; Y8-L22 HydrophobicContact CD1-CG 4.23Å |
| 23 | I | 84.4 | Confident | 74.8 | Confident | 73 Ų | 73 | 115.7 Ų | 115.7 | 37% | 0.374 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.4 | 178 | -53.8 | -177.3 | 0 | 0 | 0 | 107.8 | Y8 C9 C11 | Y8-I23 CarbonylContact C-O 3.58Å; Y8-I23 WeakPolarHBondContact CA-O 3.42Å; C9-I23 HydrophobicContact CB-CB 4.5Å; C9-I23 PolarHBondContact N-O 3.2Å; C9-I23 PolarHBondContact O-N 2.77Å; C11-I23 HydrophobicContact CB-CD1 4.17Å; C11-I23 WeakPolarHBondContact SG-CD1 3.3Å |
| 24 | K | 87.4 | Confident | 74.1 | Confident | 116 Ų | 116 | 118.4 Ų | 118.4 | 50% | 0.504 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 118.7 | 172.4 | -175.7 | 177.6 | 176.5 | 177.4 | 0 | 108.7 | F6 Y8 | F6-K24 HydrophobicContact CB-CG 4.12Å; F6-K24 HydrophobicContact CD1-CD 4.37Å; F6-K24 VanDerWaalsContact CD1-CE 3.43Å; F6-K24 HydrophobicContact CD1-CG 4.08Å; F6-K24 VanDerWaalsContact CD2-CE 3.4Å; F6-K24 HydrophobicContact CG-CD 4.37Å; F6-K24 HydrophobicContact CG-CG 4.21Å; Y8-K24 HydrophobicContact CD1-CB 4.09Å; Y8-K24 HydrophobicContact CD1-CG 4.19Å; Y8-K24 HydrophobicContact CE1-CB 3.9Å; Y8-K24 HydrophobicContact CE1-CD 3.81Å; Y8-K24 HydrophobicContact CE1-CG 3.67Å |
| 25 | T | 81.8 | Confident | 73.5 | Confident | 35 Ų | 35 | 114.9 Ų | 114.9 | 22% | 0.215 | 62% | 0.621 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.8 | -177.2 | -52.6 | 0 | 0 | 0 | 0 | 109.7 | F6 I7 L29 | F6-T25 WeakPolarHBondContact CA-O 3.2Å; I7-T25 PolarHBondContact N-O 2.86Å; I7-T25 PolarHBondContact O-N 2.8Å; T25-L29 HydrophobicContact CG2-CD1 4.3Å; T25-L29 HydrophobicContact CG2-CG 4.35Å |
| 26 | P | 83.2 | Confident | 73 | Confident | 83 Ų | 83 | 119.5 Ų | 119.5 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.8 | 147.2 | 175.9 | 27.6 | -34 | 0 | 0 | 0 | 111.7 | F6 | F6-P26 HydrophobicContact CE1-CB 4.32Å; F6-P26 HydrophobicContact CD1-CB 4.34Å |
| 27 | Y | 80.4 | Confident | 72.8 | Confident | 165 Ų | 165 | 118.8 Ų | 118.8 | 65% | 0.647 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -89.6 | 144.6 | 169.2 | -174.5 | -93.2 | 0 | 0 | 0 | 110.6 | P5 I7 | P5-Y27 WeakPolarHBondContact O-CB 3.43Å; P5-Y27 PolarHBondContact O-N 3.4Å; I7-Y27 HydrophobicContact CD1-CD2 3.67Å; I7-Y27 HydrophobicContact CD1-CE2 4.39Å; I7-Y27 HydrophobicContact CG1-CD2 4.39Å |
| 28 | P | 78.9 | Confident | 72.9 | Confident | 97 Ų | 97 | 118 Ų | 118 | 63% | 0.63 | 62% | 0.615 | S | S | * | * | S | Bend | cis | -78.3 | 149 | -7.5 | 31.2 | -33.1 | 0 | 0 | 0 | 112.1 | | |
| 29 | L | 75.1 | Confident | 72.5 | Confident | 91 Ų | 91 | 120.1 Ų | 120.1 | 48% | 0.476 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 141.1 | 175.1 | -96 | 70.6 | 0 | 0 | 0 | 110.1 | I7 T25 K31 | I7-L29 HydrophobicContact CB-CD1 4.23Å; I7-L29 HydrophobicContact CD1-CD1 3.27Å; I7-L29 HydrophobicContact CG1-CD1 4.27Å; T25-L29 HydrophobicContact CG2-CD1 4.3Å; T25-L29 HydrophobicContact CG2-CG 4.35Å; L29-K31 PolarHBondContact O-N 3.46Å |
| 30 | P | 72.6 | Confident | 72 | Confident | 111 Ų | 111 | 118.2 Ų | 118.2 | 72% | 0.721 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -52 | 133.8 | 170.1 | -22.3 | 31.5 | 0 | 0 | 0 | 109.8 | H32 | P30-H32 PolarHBondContact O-N 2.84Š|
| 31 | K | 68.1 | Low | 71.5 | Confident | 212 Ų | 212 | 120.2 Ų | 120.2 | 92% | 0.922 | 63% | 0.625 | S | S | * | * | | | trans | -56.4 | 114.8 | 175.2 | -69.6 | -179.8 | 179.2 | 175.2 | 0 | 107.9 | L29 | L29-K31 PolarHBondContact O-N 3.46Š|
| 32 | H | 67.8 | Low | 70.9 | Confident | 121 Ų | 121 | 116 Ų | 116 | 56% | 0.56 | 62% | 0.615 | S | S | * | * | | | trans | -57.5 | 140 | 178.6 | -165.8 | -102.8 | 0 | 0 | 0 | 109 | P30 T34 F37 | P30-H32 PolarHBondContact O-N 2.84Å; H32-T34 PolarHBondContact O-N 3.38Å; H32-T34 VanDerWaalsContact O-N 3.11Å; H32-F37 WeakPolarHBondContact CE1-CD2 2.97Å; H32-F37 AromaticContact NE2-CG 3.79Å; H32-F37 AromaticContact NE2-CE2 3.62Å; H32-F37 WeakPolarHBondContact NE2-CD2 3.44Å; H32-F37 AromaticContact NE2-CD2 3.42Å; H32-F37 AromaticContact ND1-CD2 3.84Å; H32-F37 AromaticContact CE1-CG 3.59Å; H32-F37 WeakPolarHBondContact CE1-CE2 3.34Å; H32-F37 VanDerWaalsContact CE1-CE2 3.48Å; H32-F37 AromaticContact CE1-CE2 3.48Å; H32-F37 AromaticContact CE1-CD2 2.98Å |
| 33 | P | 65.1 | Low | 70.4 | Confident | 79 Ų | 79 | 116 Ų | 116 | 51% | 0.513 | 62% | 0.621 | S | S | . | * | | | trans | -55 | 124.2 | 169.5 | -18.5 | 29.1 | 0 | 0 | 0 | 108.1 | G35 F37 | P33-G35 PolarHBondContact O-N 3.05Å; P33-F37 HydrophobicContact CB-CE2 4.11Å; P33-F37 HydrophobicContact CG-CZ 4.34Å; P33-F37 HydrophobicContact CG-CE2 3.82Å |
| 34 | T | 58.5 | Low | 69.5 | Low | 149 Ų | 149 | 118.4 Ų | 118.4 | 91% | 0.914 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -68 | 12.8 | 175.1 | -43.1 | 0 | 0 | 0 | 0 | 112.1 | H32 K36 | H32-T34 PolarHBondContact O-N 3.38Å; H32-T34 VanDerWaalsContact O-N 3.11Å; T34-K36 PolarHBondContact O-N 3.15Å |
| 35 | G | 57.7 | Low | 68.2 | Low | 42 Ų | 42 | 120.4 Ų | 120.4 | 43% | 0.433 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -83.6 | 101.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | P33 F37 | P33-G35 PolarHBondContact O-N 3.05Å; G35-F37 VanDerWaalsContact O-CD2 3.3Å; G35-F37 WeakPolarHBondContact O-CD2 3.44Å; G35-F37 PolarHBondContact O-N 3.05Å |
| 36 | K | 57.4 | Low | 66.9 | Low | 194 Ų | 194 | 123.9 Ų | 123.9 | 84% | 0.843 | 68% | 0.682 | S | S | * | * | | | trans | -10.6 | 86.6 | 156.7 | 35.1 | -149 | 160.6 | -175.3 | 0 | 113.5 | T34 K38 | T34-K36 PolarHBondContact O-N 3.15Å; K36-K38 PolarHBondContact O-N 3.11Å |
| 37 | F | 59.4 | Low | 65.6 | Low | 134 Ų | 134 | 129.2 Ų | 129.2 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | | | trans | -66.7 | 104.3 | 164 | -87.3 | -107.2 | 0 | 0 | 0 | 104.6 | H32 P33 G35 P39 | H32-F37 WeakPolarHBondContact CE1-CD2 2.97Å; H32-F37 AromaticContact NE2-CG 3.79Å; H32-F37 AromaticContact NE2-CE2 3.62Å; H32-F37 WeakPolarHBondContact NE2-CD2 3.44Å; H32-F37 AromaticContact NE2-CD2 3.42Å; H32-F37 AromaticContact ND1-CD2 3.84Å; H32-F37 AromaticContact CE1-CG 3.59Å; H32-F37 WeakPolarHBondContact CE1-CE2 3.34Å; H32-F37 VanDerWaalsContact CE1-CE2 3.48Å; H32-F37 AromaticContact CE1-CE2 3.48Å; H32-F37 AromaticContact CE1-CD2 2.98Å; P33-F37 HydrophobicContact CB-CE2 4.11Å; P33-F37 HydrophobicContact CG-CZ 4.34Å; P33-F37 HydrophobicContact CG-CE2 3.82Å; G35-F37 VanDerWaalsContact O-CD2 3.3Å; G35-F37 WeakPolarHBondContact O-CD2 3.44Å; G35-F37 PolarHBondContact O-N 3.05Å; F37-P39 WeakPolarHBondContact O-CD 3.48Å |
| 38 | K | 65.6 | Low | 64.1 | Low | 178 Ų | 178 | 129.7 Ų | 129.7 | 77% | 0.774 | 70% | 0.704 | S | S | * | * | | | trans | -77.9 | 101.7 | 163.7 | -70.6 | -178.1 | 178.9 | -174.6 | 0 | 105 | K36 V40 | K36-K38 PolarHBondContact O-N 3.11Å; K38-V40 PolarHBondContact O-N 2.96Å |
| 39 | P | 63.3 | Low | 63 | Low | 96 Ų | 96 | 133.7 Ų | 133.7 | 62% | 0.623 | 72% | 0.715 | S | S | * | * | | | trans | -55.6 | 121 | 167.2 | 24.3 | -32.1 | 0 | 0 | 0 | 106.4 | F37 L41 | F37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-L41 PolarHBondContact O-N 2.78Å; P39-L41 HydrophobicContact CG-CG 4.47Å; P39-L41 HydrophobicContact CB-CG 4.4Å; P39-L41 HydrophobicContact CB-CD2 4.49Å |
| 40 | V | 65.9 | Low | 61.7 | Low | 144 Ų | 144 | 135.2 Ų | 135.2 | 87% | 0.873 | 72% | 0.723 | S | S | * | * | | | trans | -70.5 | 86.6 | 169.8 | 178 | 0 | 0 | 0 | 0 | 105.3 | K38 | K38-V40 PolarHBondContact O-N 2.96Š|
| 41 | L | 66.8 | Low | 60.6 | Low | 128 Ų | 128 | 134.2 Ų | 134.2 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 130.3 | 170.6 | -66 | 173.2 | 0 | 0 | 0 | 106.9 | P39 | P39-L41 PolarHBondContact O-N 2.78Å; P39-L41 HydrophobicContact CG-CG 4.47Å; P39-L41 HydrophobicContact CB-CG 4.4Å; P39-L41 HydrophobicContact CB-CD2 4.49Å |
| 42 | P | 66.4 | Low | 59.3 | Low | 76 Ų | 76 | 131.6 Ų | 131.6 | 49% | 0.494 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 145.8 | 171.4 | 24.8 | -31.8 | 0 | 0 | 0 | 109.1 | | |
| 43 | P | 71.7 | Confident | 58.4 | Low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 139.9 | 180 | 24.5 | -33.1 | 0 | 0 | 0 | 109.8 | I45 | P43-I45 PolarHBondContact O-N 3.25Š|
| 44 | P | 65.3 | Low | 57.6 | Low | 125 Ų | 125 | 134.2 Ų | 134.2 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.2 | 173.3 | 24.4 | -31.4 | 0 | 0 | 0 | 108.6 | S46 | P44-S46 PolarHBondContact O-N 2.96Š|
| 45 | I | 60.9 | Low | 57.2 | Low | 158 Ų | 158 | 136 Ų | 136 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | | | trans | -63.3 | 110.7 | 170.8 | -67.2 | 171.1 | 0 | 0 | 0 | 106.5 | P43 K47 | P43-I45 PolarHBondContact O-N 3.25Å; I45-K47 PolarHBondContact O-N 3.03Å |
| 46 | S | 54.4 | Low | 56.3 | Low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | -60.5 | 102.9 | 171.4 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | P44 E48 | P44-S46 PolarHBondContact O-N 2.96Å; S46-E48 VanDerWaalsContact C-N 3.28Å; S46-E48 PolarHBondContact O-N 3.04Å |
| 47 | K | 55.3 | Low | 55.6 | Low | 195 Ų | 195 | 133.7 Ų | 133.7 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | | | trans | -72.6 | 95 | 163.2 | -76.6 | -170.8 | 176.8 | -177.4 | 0 | 106.2 | I45 H49 | I45-K47 PolarHBondContact O-N 3.03Å; K47-H49 PolarHBondContact O-N 3.21Å |
| 48 | E | 50.3 | Low | 54.8 | Low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | | | trans | -51.6 | 112.9 | 161.3 | -175.5 | -179.9 | 88.8 | 0 | 0 | 107.7 | S46 N50 | S46-E48 VanDerWaalsContact C-N 3.28Å; S46-E48 PolarHBondContact O-N 3.04Å; E48-N50 PolarHBondContact O-N 3.03Å |
| 49 | H | 55.9 | Low | 53.7 | Low | 182 Ų | 182 | 134.4 Ų | 134.4 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | trans | -77.4 | 95.6 | 168.7 | 174.9 | -88.2 | 0 | 0 | 0 | 107.1 | K47 | K47-H49 PolarHBondContact O-N 3.21Š|
| 50 | N | 46.5 | Very low | 52.9 | Low | 123 Ų | 123 | 136.4 Ų | 136.4 | 66% | 0.658 | 77% | 0.767 | S | S | * | * | | | trans | -149.7 | 132.4 | 147.8 | -140.1 | -34.1 | 0 | 0 | 0 | 113 | E48 | E48-N50 PolarHBondContact O-N 3.03Š|
| 51 | S | 49.6 | Very low | 51.7 | Low | 90 Ų | 90 | 135.7 Ų | 135.7 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 54.3 | 82.3 | 147.5 | 45.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 52 | L | 42.3 | Very low | 50.7 | Low | 157 Ų | 157 | 133.9 Ų | 133.9 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | | -160 | 65.4 | 129 | -97.4 | 174.5 | 0 | 0 | 0 | 108.5 | S54 | L52-S54 PolarHBondContact O-N 2.95Š|
| 53 | L | 49 | Very low | 49.4 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | | | trans | -69.5 | 75.7 | 152.8 | -173 | 77.8 | 0 | 0 | 0 | 107.3 | | |
| 54 | S | 47 | Very low | 47.7 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 57% | 0.573 | 78% | 0.782 | S | S | * | * | | | trans | -131 | 87.6 | 167.7 | -69.8 | 0 | 0 | 0 | 0 | 106.6 | L52 P56 | L52-S54 PolarHBondContact O-N 2.95Å; S54-P56 WeakPolarHBondContact O-CD 3.19Å |
| 55 | Q | 50.6 | Low | 46.5 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | trans | -59.7 | 126.8 | 160.6 | -64.8 | -175.6 | -76.9 | 0 | 0 | 107.8 | | |
| 56 | P | 39.7 | Very low | 45.4 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | trans | -94.6 | 106.4 | 157.1 | -0.1 | 22.2 | 0 | 0 | 0 | 106.6 | S54 | S54-P56 WeakPolarHBondContact O-CD 3.19Š|
| 57 | G | 41.2 | Very low | 44.7 | Very low | 62 Ų | 62 | 144.5 Ų | 144.5 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | | | trans | -57 | 149.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 58 | K | 44.2 | Very low | 43.8 | Very low | 214 Ų | 214 | 143.7 Ų | 143.7 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | | | trans | 51.6 | 103.7 | 150.6 | -34.2 | -179.2 | -169.1 | -177.4 | 0 | 115.9 | | |
| 59 | S | 42.4 | Very low | 43.1 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | -139.7 | 108.6 | 149.4 | -166.5 | 0 | 0 | 0 | 0 | 110.7 | V61 | S59-V61 PolarHBondContact O-N 3.39Š|
| 60 | T | 45.8 | Very low | 42.2 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | -57.6 | 113.3 | 163.2 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 61 | V | 40.8 | Very low | 41.6 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | -139.2 | 118 | 153.9 | 170.5 | 0 | 0 | 0 | 0 | 109.1 | S59 | S59-V61 PolarHBondContact O-N 3.39Š|
| 62 | S | 45.4 | Very low | 40.9 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | | | trans | -59.1 | 136.3 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 112.7 | R64 | S62-R64 PolarHBondContact OG-N 3.35Š|
| 63 | P | 39.8 | Very low | 40.5 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -92.7 | 98.5 | 150.7 | 11.2 | 8 | 0 | 0 | 0 | 108.3 | | |
| 64 | R | 35.8 | Very low | 40 | Very low | 216 Ų | 216 | 136.2 Ų | 136.2 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | | | trans | -74.3 | 123.6 | 163.5 | -129.8 | -161.8 | 173.5 | 159.7 | -0.5 | 108.4 | S62 | S62-R64 PolarHBondContact OG-N 3.35Š|
| 65 | D | 40.6 | Very low | 39.9 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 65% | 0.647 | 79% | 0.787 | S | S | * | * | | | trans | 64 | 105.3 | 151.4 | -53.7 | -48.5 | 0 | 0 | 0 | 119.1 | | |
| 66 | K | 36.6 | Very low | 39.2 | Very low | 199 Ų | 199 | 138.2 Ų | 138.2 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | | | | -169.3 | 105.6 | 103.8 | -96.4 | 159.8 | -173.6 | -91.9 | 0 | 111.7 | | |
| 67 | V | 39.5 | Very low | 39.2 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 50.8 | 93.9 | 135.7 | -171.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 68 | Q | 36.6 | Very low | 39.6 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | | 66.5 | 115.8 | 79.6 | -167.9 | 164.5 | 9 | 0 | 0 | 115.9 | | |
| 69 | S | 36.5 | Very low | 39.2 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | 59 | 119.3 | 140.9 | -160.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 70 | G | 36.8 | Very low | 39 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | | 128.4 | 141.8 | 63 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 71 | N | 32.8 | Very low | 38.7 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -76 | 148.5 | -175 | 65.6 | -8.8 | 0 | 0 | 0 | 112.1 | | |
| 72 | T | 36.3 | Very low | 38.6 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | | | trans | 49.3 | 122.2 | 144.2 | -36.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 73 | E | 32.5 | Very low | 38.2 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | | | | 160.5 | 105.8 | 126.2 | -172.5 | 158.4 | 88.7 | 0 | 0 | 110.3 | | |
| 74 | S | 38.3 | Very low | 38.1 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 69% | 0.692 | 82% | 0.816 | S | S | * | * | | | | 83.8 | 130.8 | 106.2 | -166.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 75 | S | 45.3 | Very low | 38.2 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | 79.1 | 108.2 | 151 | -60.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 76 | K | 35.6 | Very low | 38 | Very low | 201 Ų | 201 | 139.9 Ų | 139.9 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | | 150.5 | 111.8 | 105.5 | -165.7 | 169.9 | -174.4 | -164.1 | 0 | 111.8 | | |
| 77 | A | 39.8 | Very low | 38.2 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | | | trans | -69.2 | 158.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 78 | P | 49.3 | Very low | 38 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | | | cis | -139.9 | -169.3 | 45.8 | 35.9 | -11.1 | 0 | 0 | 0 | 111.1 | | |
| 79 | S | 36.6 | Very low | 38.2 | Very low | 190 Ų | 190 | 131.5 Ų | 131.5 | 100% | 1.329 | 83% | 0.826 | S | S | * | * | | | cis | -165.1 | 0 | 38.5 | -103.1 | 0 | 0 | 0 | 0 | 109 | | |